2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide

C16H23BrN2O2 — CID 63638310

IUPAC2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1Br)C1CCCNC1
InChIInChI=1S/C16H23BrN2O2/c1-3-9-19(12-5-4-8-18-11-12)16(20)14-10-13(21-2)6-7-15(14)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyMCVTZTCRXWDLEL-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.06
Rot. Bonds5

About 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide

2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide (PubChem CID 63638310) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
PubChem CID63638310
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1Br)C1CCCNC1
InChIInChI=1S/C16H23BrN2O2/c1-3-9-19(12-5-4-8-18-11-12)16(20)14-10-13(21-2)6-7-15(14)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyMCVTZTCRXWDLEL-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
2-methoxy-N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638650
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
6-methyl-2-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 104772838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide?
The IUPAC name of 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide (CID 63638310) is 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide is CCCN(C(=O)c1cc(OC)ccc1Br)C1CCCNC1.
What is the InChIKey of 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide?
The InChIKey is MCVTZTCRXWDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-9-19(12-5-4-8-18-11-12)16(20)14-10-13(21-2)6-7-15(14)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide?
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide has a molecular weight of 355.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide is sourced from PubChem (CID 63638310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).